Vitas-M small molecule compound
(2E)-1-[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-3-(thiophen-2-yl)prop-2-en-1-one
Catalog ID
STK889205
SMILES Clc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)Cl)C(=O)/C=C/c1cccs1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H22Cl2N2OS MW 493.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22Cl2N2OS/c28-21-10-6-18(7-11-21)17-20-3-1-5-24-26(20)30-31(25(32)15-14-23-4-2-16-33-23)27(24)19-8-12-22(29)13-9-19/h2,4,6-17,24,27H,1,3,5H2/b15-14+,20-17+InChIKey
YIBDAZBLSVXIOG-QDHVZSLHSA-NSynonyms
(2E)1((7E)7(4chlorobenzylidene)3(4chlorophenyl)33a4567hexahydro2Hindazol2yl)3(thiophen2yl)prop2en1one
(E)1((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)3THIOPHEN2YLPROP2EN1ONE
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=O)C=CC4=CC=CS4)C5=CC=C(C=C5)Cl
Clc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)Cl)C(=O)C=Cc1cccs1
InChI=1SC27H22Cl2N2OSc282110618(71121)17203152426(20)3031(25(32)15142342163323)27(24)1981222(29)13919h246172427H135H2b1514+2017+
MFCD02702870
ZINC000015906461
ZINC000015906464
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